4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile

C19H13Cl3N2 — CID 145206371

IUPAC4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile
SMILESC=Cc1ccc(Cl)c(Cc2cc3c(Cl)cc(C#N)cc3n2C)c1Cl
InChIInChI=1S/C19H13Cl3N2/c1-3-12-4-5-16(20)15(19(12)22)9-13-8-14-17(21)6-11(10-23)7-18(14)24(13)2/h3-8H,1,9H2,2H3
InChIKeyYHBSXBBXRZYEQD-UHFFFAOYSA-N
MW375.69 g/mol
LogP6.24
Rot. Bonds3

About 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile

4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile (PubChem CID 145206371) has the molecular formula C19H13Cl3N2 and a molecular weight of 375.69 g/mol. Its IUPAC name is 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile
PubChem CID145206371
Molecular FormulaC19H13Cl3N2
Molecular Weight375.69 g/mol
Exact Mass374.01
IUPAC Name4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile
SMILESC=Cc1ccc(Cl)c(Cc2cc3c(Cl)cc(C#N)cc3n2C)c1Cl
InChIInChI=1S/C19H13Cl3N2/c1-3-12-4-5-16(20)15(19(12)22)9-13-8-14-17(21)6-11(10-23)7-18(14)24(13)2/h3-8H,1,9H2,2H3
InChIKeyYHBSXBBXRZYEQD-UHFFFAOYSA-N
XLogP6.24
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile
CID 145203561
2-[(2,6-dichloro-3-formylphenyl)methyl]-1,4-dimethylpyrrolo[2,3-b]pyridine-6-carbonitrile
CID 146493806
6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole
CID 145206706
2-[[2,6-dichloro-3-[2-(oxan-4-yl)acetyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
CID 146950862
2-[(2,6-dichlorophenyl)methyl]-1,4-dimethylindole-5-carbonitrile
CID 151481745
methyl 2-[1-[1-[2,4-dichloro-3-[(5-cyano-1,4-dimethylindol-2-yl)methyl]phenyl]ethenyl]piperidin-4-yl]acetate
CID 145206598
2-[[2,6-dichloro-3-[hydroxy(methoxy)methyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 163881131
2,4-dichloro-3-[(1,4-dimethyl-6-nitrosoindol-2-yl)methyl]benzoic acid
CID 146494487
2-[1-[[2,4-dichloro-3-[(4,6-dichloro-1-methylindol-2-yl)methyl]phenyl]methyl]piperidin-4-yl]acetic acid
CID 172798942
2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbaldehyde
CID 146493931
1-[2,4-dichloro-3-[[6-(1,1-difluoroprop-2-enyl)-1,4-dimethylindol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylic acid
CID 145206433
3,5-dichloro-4-(2-methoxyethoxy)benzonitrile
CID 164888287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile?
The IUPAC name of 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile (CID 145206371) is 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile.
What is the SMILES notation for 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile?
The canonical SMILES for 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile is C=Cc1ccc(Cl)c(Cc2cc3c(Cl)cc(C#N)cc3n2C)c1Cl.
What is the InChIKey of 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile?
The InChIKey is YHBSXBBXRZYEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2/c1-3-12-4-5-16(20)15(19(12)22)9-13-8-14-17(21)6-11(10-23)7-18(14)24(13)2/h3-8H,1,9H2,2H3.
What are the key properties of 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile?
4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile has a molecular weight of 375.69 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile is sourced from PubChem (CID 145206371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).